(2R)-1-[2-(1-methylcyclopropyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid

C11H19NO4S — CID 122069658

IUPAC(2R)-1-[2-(1-methylcyclopropyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid
SMILESCC1(CCS(=O)(=O)N2CCC[C@@H]2C(=O)O)CC1
InChIInChI=1S/C11H19NO4S/c1-11(4-5-11)6-8-17(15,16)12-7-2-3-9(12)10(13)14/h9H,2-8H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyBFNRYMFUSYNSJE-SECBINFHSA-N
MW261.34 g/mol
LogP1.06
Rot. Bonds5

About (2R)-1-[2-(1-methylcyclopropyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-(1-methylcyclopropyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid (PubChem CID 122069658) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is (2R)-1-[2-(1-methylcyclopropyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(1-methylcyclopropyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid
PubChem CID122069658
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name(2R)-1-[2-(1-methylcyclopropyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid
SMILESCC1(CCS(=O)(=O)N2CCC[C@@H]2C(=O)O)CC1
InChIInChI=1S/C11H19NO4S/c1-11(4-5-11)6-8-17(15,16)12-7-2-3-9(12)10(13)14/h9H,2-8H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeyBFNRYMFUSYNSJE-SECBINFHSA-N
XLogP1.06
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-propylsulfonylpyrrolidine-2-carboxylic acid
CID 7131642
(2R)-1-(3-methylbutylsulfonyl)pyrrolidine-2-carboxylic acid
CID 78952354
1-(3-methyl-3-methylsulfonylbutyl)sulfonylpiperidine-2-carboxylic acid
CID 122070160
(2S)-1-(3-cyano-3-methylbutyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069762
(2S)-1-prop-2-enylsulfonylpyrrolidine-2-carboxylic acid
CID 79673182
(2S)-1-(2-methoxy-2-oxoethyl)sulfonylpyrrolidine-2-carboxylic acid
CID 61359148
(2S)-1-(2-ethoxyethylsulfonyl)piperidine-2-carboxylic acid
CID 66263402
(2R)-1-(3-methoxy-3-oxopropyl)sulfonylpiperidine-2-carboxylic acid
CID 79034671
(2R)-1-[2-(2,2,2-trifluoroethoxy)ethylsulfonyl]pyrrolidine-2-carboxylic acid
CID 122069617
1-(2-propan-2-yloxyethylsulfonyl)azepane-2-carboxylic acid
CID 79594113
1-(2-methylsulfonylethylsulfamoyl)piperidine-2-carboxylic acid
CID 54931954
1-(6-methoxy-6-oxohexyl)sulfonylpiperidine-2-carboxylic acid
CID 122070228

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(1-methylcyclopropyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(1-methylcyclopropyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid (CID 122069658) is (2R)-1-[2-(1-methylcyclopropyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(1-methylcyclopropyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(1-methylcyclopropyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid is CC1(CCS(=O)(=O)N2CCC[C@@H]2C(=O)O)CC1.
What is the InChIKey of (2R)-1-[2-(1-methylcyclopropyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BFNRYMFUSYNSJE-SECBINFHSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-11(4-5-11)6-8-17(15,16)12-7-2-3-9(12)10(13)14/h9H,2-8H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-1-[2-(1-methylcyclopropyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-(1-methylcyclopropyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 261.34 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(1-methylcyclopropyl)ethylsulfonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122069658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).